N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c1-13-10(18)7-21-12-15-14-11(16(12)2)8-3-5-9(6-4-8)17(19)20/h3-6H,7H2,1-2H3,(H,13,18)